SCHEMBL7018744

SCHEMBL7018744

CC(=O)CCC(c1ncccn1)S(=O)(=O)N1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.45
USP5 P45974 2/20 0.42
CCR5 P51681 3/20 0.38
PRCP P42785 1/20 0.38
DRD2 P14416 2/20 0.37
CCR1 P32246 1/20 0.37
RAB9A P51151 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR2B P41595 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36
NPC1 O15118 2/20 0.35
ATM Q13315 1/20 0.35
NAMPT P43490 1/20 0.35
AOC3 Q16853 1/20 0.35
MMP3 P08254 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
HCRTR2 O43614 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7014329 0.90 COMT (0.44) COMTUSP5CCR5PRCPDRD2
SCHEMBL942368 0.72 MMP3 (0.46) COMTUSP5PRCPDRD2RAB9A
SCHEMBL12911295 0.71 MMP3 (0.52) COMTUSP5CCR5DRD2CCR1
SCHEMBL7131238 0.71 DRD2 (0.41) DRD2MAPTALDH1A1
SCHEMBL940834 0.70 MMP3 (0.44) COMTUSP5PRCPDRD2RAB9A
SCHEMBL6808427 0.69 MMP3 (0.41) COMTUSP5DRD2MMP3
SCHEMBL7015188 0.67 USP5 (0.41) COMTUSP5CCR5CCR1RAB9A
SCHEMBL942270 0.66 DPP4 (0.49) COMTUSP5CCR5ALDH1A1SMN1; SMN2
SCHEMBL4698592 0.66 USP5 (0.50) COMTUSP5CCR5DRD2CCR1
SCHEMBL7037798 0.66 USP5 (0.47) USP5CCR5DRD2CCR1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370556-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074767-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed